(Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol

C14H18F2O2 — CID 11097185

IUPAC(Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol
SMILESCCO/C(=C\c1ccccc1)C(F)(F)C(O)CC
InChIInChI=1S/C14H18F2O2/c1-3-12(17)14(15,16)13(18-4-2)10-11-8-6-5-7-9-11/h5-10,12,17H,3-4H2,1-2H3/b13-10-
InChIKeyYBIKXCXEXAPONF-RAXLEYEMSA-N
MW256.29 g/mol
LogP3.47
Rot. Bonds6

About (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol

(Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol (PubChem CID 11097185) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol.

Molecular Properties

Compound Name(Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol
PubChem CID11097185
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name(Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol
SMILESCCO/C(=C\c1ccccc1)C(F)(F)C(O)CC
InChIInChI=1S/C14H18F2O2/c1-3-12(17)14(15,16)13(18-4-2)10-11-8-6-5-7-9-11/h5-10,12,17H,3-4H2,1-2H3/b13-10-
InChIKeyYBIKXCXEXAPONF-RAXLEYEMSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-3-phenylpropan-2-ol
CID 2781530
1,1,1-Trifluoro-4-phenylbutan-2-ol
CID 9859081
alpha-(Difluoromethyl)benzenepropanol
CID 15648576
1,1-Difluoro-3-phenylpropan-2-ol
CID 15085378
[(Z)-4-ethoxy-5,5,6,6,7,7,7-heptafluorohept-3-enyl]benzene
CID 15651902
(2S)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 6933400
(S)-1,1,1-Trifluoro-4-phenyl-2-butanol
CID 13299810
1,1,1-Trifluoro-4-phenylpent-4-en-2-ol
CID 155930929
[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene
CID 10878552
[(1E,3E,4E)-3-(1-ethoxy-2,2,2-trifluoroethylidene)nona-1,4-dienyl]benzene
CID 11131146
5,5-Difluoro-4-phenylpent-4-en-2-ol
CID 11148299
1-[4-(Trifluoromethyl)phenyl]tellanylbutan-2-ol
CID 15274705

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol?
The IUPAC name of (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol (CID 11097185) is (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol.
What is the SMILES notation for (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol?
The canonical SMILES for (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol is CCO/C(=C\c1ccccc1)C(F)(F)C(O)CC.
What is the InChIKey of (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol?
The InChIKey is YBIKXCXEXAPONF-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-3-12(17)14(15,16)13(18-4-2)10-11-8-6-5-7-9-11/h5-10,12,17H,3-4H2,1-2H3/b13-10-.
What are the key properties of (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol?
(Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol has a molecular weight of 256.29 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol is sourced from PubChem (CID 11097185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).